(2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol

C36H58O4Si2 — CID 101393356

About (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol

(2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol (PubChem CID 101393356) has the molecular formula C36H58O4Si2 and a molecular weight of 611.03 g/mol. Its IUPAC name is (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol.

Molecular Properties

• Compound Name: (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol
• PubChem CID: 101393356
• Molecular Formula: C36H58O4Si2
• Molecular Weight: 611.03 g/mol
• Exact Mass: 610.39
• IUPAC Name: (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol
• SMILES: CC(C)[Si](O[C@@H]1C=C(CC[C@@H](C)O)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(C(C)C)C(C)C
• InChI: InChI=1S/C36H58O4Si2/c1-27(2)41(28(3)4,29(5)6)40-33-25-31(22-21-30(7)37)39-32(26-33)23-24-38-42(36(8,9)10,34-17-13-11-14-18-34)35-19-15-12-16-20-35/h11-20,25,27-30,32-33,37H,21-24,26H2,1-10H3/t30-,32+,33-/m1/s1
• InChIKey: ZRNBWRRICWKRCF-NGYIUDBNSA-N
• XLogP: 8.35
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.03
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol?

The IUPAC name of (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol (CID 101393356) is (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol.

What is the SMILES notation for (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol?

The canonical SMILES for (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol is CC(C)[Si](O[C@@H]1C=C(CC[C@@H](C)O)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(C(C)C)C(C)C.

What is the InChIKey of (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol?

The InChIKey is ZRNBWRRICWKRCF-NGYIUDBNSA-N. The full InChI is InChI=1S/C36H58O4Si2/c1-27(2)41(28(3)4,29(5)6)40-33-25-31(22-21-30(7)37)39-32(26-33)23-24-38-42(36(8,9)10,34-17-13-11-14-18-34)35-19-15-12-16-20-35/h11-20,25,27-30,32-33,37H,21-24,26H2,1-10H3/t30-,32+,33-/m1/s1.

What are the key properties of (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol?

(2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol has a molecular weight of 611.03 g/mol, XLogP of 8.35, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol is sourced from PubChem (CID 101393356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).